N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide

C16H19N3OS — CID 90905599

IUPACN-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1ccnc2sccc12
InChIInChI=1S/C16H19N3OS/c20-15(13-1-5-17-16-14(13)4-8-21-16)18-12-9-11-2-6-19(10-12)7-3-11/h1,4-5,8,11-12H,2-3,6-7,9-10H2,(H,18,20)
InChIKeyOHDOUDSNNXSEIU-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.51
Rot. Bonds2

About N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide

N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide (PubChem CID 90905599) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
PubChem CID90905599
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1ccnc2sccc12
InChIInChI=1S/C16H19N3OS/c20-15(13-1-5-17-16-14(13)4-8-21-16)18-12-9-11-2-6-19(10-12)7-3-11/h1,4-5,8,11-12H,2-3,6-7,9-10H2,(H,18,20)
InChIKeyOHDOUDSNNXSEIU-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide (CID 90905599) is N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide is O=C(NC1CC2CCN(CC2)C1)c1ccnc2sccc12.
What is the InChIKey of N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide?
The InChIKey is OHDOUDSNNXSEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(13-1-5-17-16-14(13)4-8-21-16)18-12-9-11-2-6-19(10-12)7-3-11/h1,4-5,8,11-12H,2-3,6-7,9-10H2,(H,18,20).
What are the key properties of N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide?
N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 90905599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).